SCHEMBL20302243

SCHEMBL20302243

C[C@H](CO)CCCc1cc(Br)ccc1O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.39
GFER P55789 1/20 0.39
ALDH1A1 P00352 4/20 0.37
HPGD P15428 4/20 0.37
HTT P42858 3/20 0.37
CYP1A2 P05177 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP3A4 P08684 1/20 0.37
PKM P14618 1/20 0.37
HIF1A Q16665 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
KDM4E B2RXH2 1/20 0.37
POLB P06746 1/20 0.37
ALOX15 P16050 2/20 0.36
ADRB2 P07550 1/20 0.36
CA12 O43570 2/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA9 Q16790 2/20 0.34
MC4R P32245 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL20006876 0.81 KCNH2 (0.38) ADRB2GABRA1GABRB2
SCHEMBL4004992 0.80 GABRA1 (0.44) TSHRGFERALDH1A1HPGDHTT
SCHEMBL2122564 0.78 TSHR (0.46) TSHRGFERALDH1A1HPGDHTT
SCHEMBL19889290 0.77 TYR (0.54) TSHRGFERALDH1A1HPGDHTT
SCHEMBL7332508 0.77 MPO (0.46) TSHRHIF1AKDM4ECA12CA2
SCHEMBL573894 0.76 TYR (0.52) TSHRGFERALDH1A1HPGDHTT
SCHEMBL573232 0.75 TYR (0.51) TSHRGFERALDH1A1HPGDHTT
SCHEMBL2984802 0.74 TSHR (0.49) TSHRGFERALDH1A1HPGDHTT
SCHEMBL8401876 0.73 TYR (0.54) TSHRALDH1A1HTTCYP3A4HIF1A
SCHEMBL574556 0.73 TYR (0.54) TSHRALDH1A1HTTCYP3A4HIF1A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3562483-A2 NOVEL BENZOFURAN, BENZOTHIOPHENE, AND INDOLE ANALOGS THAT INHIBIT THE FORMATION OF TAU OLIGOMERS AND THEIR METHOD OF USE Oligomerix, Inc. (US) 2019-11-06 EP disclosed
WO-2018118782-A2 NOVEL BENZOFURAN, BENZOTHIOPHENE, AND INDOLE ANALOGS THAT INHIBIT THE FORMATION OF TAU OLIGOMERS AND THEIR METHOD OF USE OLIGOMERIX, INC. (US) 2018-06-28 WO disclosed